4-(4-propanoylphenyl)morpholine-2-carbonitrile

C14H16N2O2 — CID 114065848

IUPAC4-(4-propanoylphenyl)morpholine-2-carbonitrile
SMILESCCC(=O)c1ccc(N2CCOC(C#N)C2)cc1
InChIInChI=1S/C14H16N2O2/c1-2-14(17)11-3-5-12(6-4-11)16-7-8-18-13(9-15)10-16/h3-6,13H,2,7-8,10H2,1H3
InChIKeyODTCVDLJCHWKAA-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.01
Rot. Bonds3

About 4-(4-propanoylphenyl)morpholine-2-carbonitrile

4-(4-propanoylphenyl)morpholine-2-carbonitrile (PubChem CID 114065848) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(4-propanoylphenyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-propanoylphenyl)morpholine-2-carbonitrile
PubChem CID114065848
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-(4-propanoylphenyl)morpholine-2-carbonitrile
SMILESCCC(=O)c1ccc(N2CCOC(C#N)C2)cc1
InChIInChI=1S/C14H16N2O2/c1-2-14(17)11-3-5-12(6-4-11)16-7-8-18-13(9-15)10-16/h3-6,13H,2,7-8,10H2,1H3
InChIKeyODTCVDLJCHWKAA-UHFFFAOYSA-N
XLogP2.01
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenylmorpholine-2-carbonitrile
CID 67651414
4-(3,4-diaminophenyl)morpholine-2-carbonitrile
CID 106750984
ethyl 6-(2-cyanomorpholin-4-yl)pyridine-3-carboxylate
CID 78946431
4-[2-(4-nitrophenyl)-2-oxoethyl]morpholine-2-carbonitrile
CID 79674820
4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]morpholine-2-carbonitrile
CID 113355148
4-(6-cyano-3-pyridinyl)morpholine-2-carbonitrile
CID 79838851
4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carbonitrile
CID 117009780
4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]morpholine-2-carbonitrile
CID 79674302
1-[4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-1-one
CID 114065871
1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one
CID 114065869
1-(4-propanoylphenyl)piperidin-4-one
CID 83779934
4-(2-oxobutyl)morpholine-2-carbonitrile
CID 79675265

Frequently Asked Questions

What is the IUPAC name of 4-(4-propanoylphenyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(4-propanoylphenyl)morpholine-2-carbonitrile (CID 114065848) is 4-(4-propanoylphenyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(4-propanoylphenyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(4-propanoylphenyl)morpholine-2-carbonitrile is CCC(=O)c1ccc(N2CCOC(C#N)C2)cc1.
What is the InChIKey of 4-(4-propanoylphenyl)morpholine-2-carbonitrile?
The InChIKey is ODTCVDLJCHWKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-14(17)11-3-5-12(6-4-11)16-7-8-18-13(9-15)10-16/h3-6,13H,2,7-8,10H2,1H3.
What are the key properties of 4-(4-propanoylphenyl)morpholine-2-carbonitrile?
4-(4-propanoylphenyl)morpholine-2-carbonitrile has a molecular weight of 244.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propanoylphenyl)morpholine-2-carbonitrile is sourced from PubChem (CID 114065848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).